GPCRdb

CHEMBL4111378

Agent/drug
Bioactivity

CHEMBL4111378

SMILES	COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2
InChIKey	BMFSUPQQTNVKHG-BZGUEYIMSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	525.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pKi	6.21	6.21	6.21	ChEMBL
κ	OPRK	Human	Opioid	A	pKi	7.82	7.82	7.82	ChEMBL
μ	OPRM	Human	Opioid	A	pKi	6.93	6.93	6.93	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Human	Opioid	A	pEC50	6.19	6.19	6.19	ChEMBL
κ	OPRK	Human	Opioid	A	pEC50	6.05	6.05	6.05	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL4111378

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.